Cyclopentaneundecanoic acid
Basic information
- CAS
6053-49-2- Standard SMILES
O=C(O)CCCCCCCCCCC1CCCC1- InChIKey
NYPUDXUXLBGPAZ-UHFFFAOYSA-N- Molecular formula
- C16H30O2
- Average molar mass
- 254.41 g/mol
- Monoisotopic mass
- 254.2245802
Overview
11-cyclopentylundecanoic acid has been reported in Zingiber officinale and Solieria filiformis with data available.
Names & identifiers
- Preferred name
- Cyclopentaneundecanoic acid
- IUPAC
- 11-cyclopentylundecanoic acid
- English name
- Dihydrohydnocarpic acid
- Molecular formula
- C16H30O2
- Molecular weight
- 254.41
Names & synonyms
Cyclopentaneundecanoic acid6053-49-2DTXSID201016002RefChem:129863DTXCID401474161NYPUDXUXLBGPAZ-UHFFFAOYSA-NSCHEMBL331736911-Cyclopentylundecanoic acid #Dihydrohydnocarpic acid
Database identifiers
- CAS
6053-49-2- PubChem CID
- 534549
- DTXSID
DTXSID201016002- Nikkaji
- J103.578I
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Melting point
- 63 °C · 63 °C
- Boiling point
- 376.6 · 376.6±10.0 °C(Predicted)
- Density
- 0.944 · 0.944±0.06 g/cm3(Predicted)
- pka
- 4.78 · 4.78±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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